[(E)-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methylideneamino] 4-chloranylbenzoate

Systemtic Name: [(E)-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methylideneamino] 4-chloranylbenzoate Openeye Name: [(E)-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyleneamino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(E)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methylideneamino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(E)-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzylidene]amino] ester Formula: C19H16ClNO3 MolecularWeight: 341.78824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C=NOC(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)/C=N/OC(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C19H16ClNO3/c1-19(2,23)12-11-14-3-5-15(6-4-14)13-21-24-18(22)16-7-9-17(20)10-8-16/h3-10,13,23H,1-2H3/b21-13+